7C70

Crystal structure of beta-glycosides-binding protein (W67A) of ABC transporter in an open-liganded state bound to gentiobiose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2019-02-11
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	55.240, 98.960, 66.560
Unit cell angles	90.00, 103.25, 90.00

Refinement procedure

Resolution	49.480 - 1.630
R-factor	0.1418
Rwork	0.140
R-free	0.17850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7c63
RMSD bond length	0.016
RMSD bond angle	1.993
Data reduction software	MOSFLM (7.2.2)
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER (2.8.3)
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.530	49.480	1.660
High resolution limit [Å]	1.630	8.920	1.630
Rmerge	0.079	0.064	0.423
Rmeas	0.085	0.069	0.458
Rpim	0.031	0.025	0.174
Total number of observations		4052	27904
Number of reflections	85916	563	4142
<I/σ(I)>	15.9	33.1	4
Completeness [%]	99.0	99.5	97
Redundancy	7.2	7.2	6.7
CC(1/2)	0.995	0.996	0.918

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH		293	0.2 M Ammonium sulphate, 55% PEG 8000